What coronavirus 3C‐like protease tells us: from structure, substrate selectivity, to inhibitor design

M Xiong, H Su, W Zhao, H Xie… - Medicinal research …, 2021 - Wiley Online Library
The emergence of a variety of coronaviruses (CoVs) in the last decades has posed huge
threats to human health. Especially, the ongoing pandemic of coronavirus disease 2019 …

Recent drug development and medicinal chemistry approaches for the treatment of SARS‐CoV‐2 infection and COVID‐19

AK Ghosh, JL Mishevich, A Mesecar… - ChemMedChem, 2022 - Wiley Online Library
Abstract COVID‐19, caused by SARS‐CoV‐2 infection, continues to be a major public
health crisis around the globe. Development of vaccines and the first cluster of antiviral …

Covalent narlaprevir-and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease

DW Kneller, H Li, G Phillips, KL Weiss, Q Zhang… - Nature …, 2022 - nature.com
Emerging SARS-CoV-2 variants continue to threaten the effectiveness of COVID-19
vaccines, and small-molecule antivirals can provide an important therapeutic treatment …

Peptidomimetic α-acyloxymethylketone warheads with six-membered lactam P1 glutamine mimic: SARS-CoV-2 3CL protease inhibition, coronavirus antiviral activity …

B Bai, A Belovodskiy, M Hena… - Journal of Medicinal …, 2021 - ACS Publications
Recurring coronavirus outbreaks, such as the current COVID-19 pandemic, establish a
necessity to develop direct-acting antivirals that can be readily administered and are active …

Perspectives on SARS-CoV-2 main protease inhibitors

K Gao, R Wang, J Chen, JJ Tepe… - Journal of medicinal …, 2021 - ACS Publications
The main protease (Mpro) plays a crucial role in severe acute respiratory syndrome
coronavirus 2 (SARS-CoV-2) replication and is highly conserved, rendering it one of the …

Open quantum system dynamics and the mean force Gibbs state

AS Trushechkin, M Merkli, JD Cresser… - AVS Quantum Science, 2022 - pubs.aip.org
The dynamical convergence of a system to the thermal distribution, or Gibbs state, is a
standard assumption across all of the physical sciences. The Gibbs state is determined just …

Similarities and dissimilarities of COVID-19 and other coronavirus diseases

TS Fung, DX Liu - Annual review of microbiology, 2021 - annualreviews.org
In less than two decades, three deadly zoonotic coronaviruses, severe acute respiratory
syndrome coronavirus (SARS-CoV), Middle East respiratory syndrome coronavirus (MERS …

Benchmarking the ability of common docking programs to correctly reproduce and score binding modes in SARS-CoV-2 protease Mpro

S Zev, K Raz, R Schwartz, R Tarabeh… - Journal of Chemical …, 2021 - ACS Publications
The coronavirus SARS-CoV-2 main protease, Mpro, is conserved among coronaviruses with
no human homolog and has therefore attracted significant attention as an enzyme drug …

Ultrafast one-minute electronic detection of SARS-CoV-2 infection by 3CLpro enzymatic activity in untreated saliva samples

E Borberg, E Granot, F Patolsky - Nature Communications, 2022 - nature.com
Since its onset in December 2019, severe acute respiratory syndrome coronavirus 2, SARS-
CoV-2, has caused over 6.5 million deaths worldwide as of October 2022. Attempts to curb …

Molecular Docking Studies on the Anti-viral Effects of Compounds From Kabasura Kudineer on SARS-CoV-2 3CLpro

S Vincent, S Arokiyaraj, M Saravanan… - Frontiers in molecular …, 2020 - frontiersin.org
The COVID-19 has now been declared a global pandemic by the World Health
Organization. No approved drug is currently available; therefore, an urgent need has been …